1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene

C40H78O11 — CID 175169918

IUPAC1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
SMILESCCCCCCC(OOCCCCC)=C(COCOCOCC(OOCCCCC)=C(CCCCCC)OOCCCCC)OOCCCCC
InChIInChI=1S/C40H78O11/c1-7-13-19-21-27-37(48-44-29-23-15-9-3)39(50-46-31-25-17-11-5)33-41-35-43-36-42-34-40(51-47-32-26-18-12-6)38(28-22-20-14-8-2)49-45-30-24-16-10-4/h7-36H2,1-6H3
InChIKeyLBXINXLNGVNYMI-UHFFFAOYSA-N
MW735.05 g/mol
LogP11.87
Rot. Bonds42

About 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene

1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene (PubChem CID 175169918) has the molecular formula C40H78O11 and a molecular weight of 735.05 g/mol. Its IUPAC name is 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene.

Molecular Properties

Compound Name1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
PubChem CID175169918
Molecular FormulaC40H78O11
Molecular Weight735.05 g/mol
Exact Mass734.55
IUPAC Name1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene
SMILESCCCCCCC(OOCCCCC)=C(COCOCOCC(OOCCCCC)=C(CCCCCC)OOCCCCC)OOCCCCC
InChIInChI=1S/C40H78O11/c1-7-13-19-21-27-37(48-44-29-23-15-9-3)39(50-46-31-25-17-11-5)33-41-35-43-36-42-34-40(51-47-32-26-18-12-6)38(28-22-20-14-8-2)49-45-30-24-16-10-4/h7-36H2,1-6H3
InChIKeyLBXINXLNGVNYMI-UHFFFAOYSA-N
XLogP11.87
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.05
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diheptoxyhexadec-2-enoxymethoxymethoxy)-2,3-diheptoxyhexadec-2-ene
CID 175225173
1-(2,3-diheptoxyundec-2-enoxymethoxymethoxy)-2,3-diheptoxyundec-2-ene
CID 175173935
2,3-dibutoxy-1-(2,3-dibutoxyoctadec-2-enoxymethoxymethoxy)octadec-2-ene
CID 175225416
1-(2,3-dipropoxyoctadec-2-enoxymethoxymethoxy)-2,3-dipropoxyoctadec-2-ene
CID 175225369
1-(2,3-dipropoxydodec-2-enoxymethoxymethoxy)-2,3-dipropoxydodec-2-ene
CID 175164389
1-(2,3-diethoxyundec-2-enoxymethoxymethoxy)-2,3-diethoxyundec-2-ene
CID 175171345
octadecyl octadecaneperoxoate
CID 139705570
1-octylperoxynonane
CID 151564626
1-hex-1-en-2-ylperoxyhexane
CID 59929364
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene?
The IUPAC name of 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene (CID 175169918) is 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene.
What is the SMILES notation for 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene?
The canonical SMILES for 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene is CCCCCCC(OOCCCCC)=C(COCOCOCC(OOCCCCC)=C(CCCCCC)OOCCCCC)OOCCCCC.
What is the InChIKey of 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene?
The InChIKey is LBXINXLNGVNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78O11/c1-7-13-19-21-27-37(48-44-29-23-15-9-3)39(50-46-31-25-17-11-5)33-41-35-43-36-42-34-40(51-47-32-26-18-12-6)38(28-22-20-14-8-2)49-45-30-24-16-10-4/h7-36H2,1-6H3.
What are the key properties of 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene?
1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene has a molecular weight of 735.05 g/mol, XLogP of 11.87, 42 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(pentylperoxy)non-2-enoxymethoxymethoxy]-2,3-bis(pentylperoxy)non-2-ene is sourced from PubChem (CID 175169918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).